Ethanone,2-bromo-1-[4-(2-thienyl)phenyl]- supplier

Name
2-BROMO-1-[4-(2-THIENYL)PHENYL]-1-ETHANONE
EINECS
CAS No. 128746-80-5
Article Data1
CAS DataBase
Density 1.488 g/cm³
Solubility
Melting Point 115 °C
Formula C₁₂H₉BrOS
Boiling Point 367.6 °C at 760 mmHg
Molecular Weight 281.17
Flash Point 176.1 °C
Transport Information
Appearance
Safety
Risk Codes C,T:Toxic/Corrosive/Lach
Molecular Structure
Hazard Symbols C,T
Synonyms 2-Bromo-1-(4-thiophen-2-ylphenyl)ethanone;4-(Thien-2-yl)phenacyl bromide;
PSA 45.31000
LogP 3.99270

Ethanone,2-bromo-1-[4-(2-thienyl)phenyl]- Specification

The Ethanone,2-bromo-1-[4-(2-thienyl)phenyl]-, with the CAS registry number 128746-80-5, is also known as 4-(Thien-2-yl)phenacyl bromide. This chemical's molecular formula is C₁₂H₉BrOS and molecular weight is 281.17. What's more, its systematic name is 2-bromo-1-(4-thiophen-2-ylphenyl)ethanone.

Physical properties of Ethanone,2-bromo-1-[4-(2-thienyl)phenyl]- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 489.01; (6)ACD/BCF (pH 7.4): 489.01; (7)ACD/KOC (pH 5.5): 2928.3; (8)ACD/KOC (pH 7.4): 2928.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 66.98 cm³; (15)Molar Volume: 188.9 cm³; (16)Polarizability: 26.55×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.488 g/cm³; (19)Flash Point: 176.1 °C; (20)Enthalpy of Vaporization: 61.42 kJ/mol; (21)Boiling Point: 367.6 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c2ccc(c1sccc1)cc2
(2)InChI: InChI=1S/C12H9BrOS/c13-8-11(14)9-3-5-10(6-4-9)12-2-1-7-15-12/h1-7H,8H2
(3)InChIKey: QFHKNYPNLSJEQI-UHFFFAOYSA-N

Product Name

2-BROMO-1-[4-(2-THIENYL)PHENYL]-1-ETHANONE

Ethanone,2-bromo-1-[4-(2-thienyl)phenyl]- Specification

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